SCHEMBL13034784

SCHEMBL13034784

CC(C)c1cc(N2CCCCC2)ncn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ LRRK2 Q5S007 2/20 0.41
▸ HRH4 Q9H3N8 4/20 0.41
▸ ELOVL1 Q9BW60 5/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP2C19 P33261 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11960323 0.98 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1TSHRRECQL
SCHEMBL11960308 0.84 HRH4 (0.53) TSHRHRH4ALDH1A1CYP2C19HRH3
SCHEMBL10223327 0.83 CYP2C19 (0.58) SMN1; SMN2RAB9ANPC1LRRK2ELOVL1
SCHEMBL16903679 0.81 LRRK2 (0.44) LRRK2CYP2C19
SCHEMBL19548104 0.80 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1TSHRRECQL
SCHEMBL11960320 0.80 LRRK2 (0.45) LRRK2HRH4CYP2C19JAK2HRH3
SCHEMBL11960332 0.80 LRRK2 (0.43) TSHRLRRK2HRH4ALDH1A1CYP2C19
SCHEMBL25653338 0.78 LRRK2 (0.47) LRRK2HRH4ALDH1A1HRH3
SCHEMBL11960312 0.77 LRRK2 (0.48) SMN1; SMN2TSHRLRRK2CYP2C19JAK2
SCHEMBL25653356 0.77 LRRK2 (0.49) LRRK2HRH4HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298314-A1 NOVEL JNK INHIBITORS SCHERING CORPORATION 2010-11-25 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100298314-A1 NOVEL JNK INHIBITORS MAPK1, MAPKAPK2, MAP4K2 SMN1; SMN2 2617/4885RAB9A 1965/4885NPC1 1606/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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